Geometry & MOs

Info

ID:	15900
PubChem CID:	454744
Reduced:	O2S3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	319.999943
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	4.56
IP(EA), eV:	-8.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)CCC(=O)O

DOS

IR

Vibrations